Compound Identification
SMILES
CO\N=C(\C(=O)OC1[C@@H](C)\C=C\C=C2/C(O)OC3[C@H](O)C(C)=CC(C(=O)OC4CC(C\C=C1/C)OC1(CC[C@H](C)C(O1)C(C)C)C4)[C@]23O)C1=CC=CC=C1
InChIKey
InChIKey=SMMLOLFKOUSZCU-RCWXSJPTSA-N
Formula
C42H55NO11
Mass
749.898
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Milbemycins
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Milbemycins
Intermediate Tree Nodes
Not available
Direct Parent
Milbemycins
Alternative Parents
Ketals Benzene and substituted derivatives Dicarboxylic acids and derivatives Oxanes Monosaccharides Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Hemiacetals Lactones Oxacyclic compounds Polyols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Milbemycin - Ketal - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Oxolane - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as milbemycins. These are a group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species.
External Descriptors
Not available